Methyl 2-(4'-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2,2'-difluorobiphenyl-4-yl)acetate
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Basic information
- CAS
1259022-69-9- Standard SMILES
COC(=O)Cc1ccc(-c2ccc(-c3nc(C(N)=O)c(C)nc3C)cc2F)c(F)c1- InChIKey
DDNHPGXSFNBQSJ-UHFFFAOYSA-N- Molecular formula
- C22H19F2N3O3
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 411.1394478
Names & identifiers
- Preferred name
- Methyl 2-(4'-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2,2'-difluorobiphenyl-4-yl)acetate
- IUPAC
- methyl 2-[4-[4-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2-fluorophenyl]-3-fluorophenyl]acetate
Names & synonyms
SCHEMBL2124827DDNHPGXSFNBQSJ-UHFFFAOYSA-NDTXSID301109814methyl 2-(4'-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2,2'-difluorobiphenyl-4-yl)acetate1259022-69-9[1,1a(2)-Biphenyl]-4-acetic acid, 4a(2)-[6-(aminocarbonyl)-3,5-dimethyl-2-pyrazinyl]-2,2a(2)-difluoro-, methyl ester
Database identifiers
- CAS
1259022-69-9- PubChem CID
- 59627685
- DTXSID
DTXSID301109814
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 622
Related reactions
4 records
Compound notes
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